Geometry & MOs

Info

ID:

116013

PubChem CID:

50543769

Reduced:

ClO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-249.94

Dipole, Da:

5.72

IP(EA), eV:

 -8.92(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[2-[(4-fluorophenyl)methylcarbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations